Accurate quantum dynamics calculations of vibrational spectrum of dideuteromethane CH2D2
Author:
Affiliation:
1. Department of Chemistry, Brookhaven National Laboratory, Upton, New York 11973-5000, USA
Funder
U.S. Department of Energy (Department of Energy)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.4921411
Reference46 articles.
1. MODEL ATMOSPHERES OF VERY LOW MASS STARS AND BROWN DWARFS
2. High resolution spectroscopy and the first global analysis of the Tetradecad region of methane 12CH4
3. High-Resolution Near Infrared Spectroscopy and Vibrational Dynamics of Dideuteromethane (CH2D2)
4. Linestrengths of the ν2 and ν4 bands of 12CH4 and 13CH4
5. Line strengths of the ν2 + ν3 and ν3 − ν2 bands of methane (12CH4)
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1. Ro-vibrational spectral features and pressure broadening dynamics of dideutero-methane (12CH2D2) in the ν9(B2) fundamental band;Journal of Molecular Spectroscopy;2022-02
2. Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem;The Journal of Chemical Physics;2018-02-21
3. Perspective: Computing (ro-)vibrational spectra of molecules with more than four atoms;The Journal of Chemical Physics;2017-03-28
4. Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane;The Journal of Chemical Physics;2016-05-28
5. Full-Dimensional Quantum Calculations of Vibrational Levels of NH4+ and Isotopomers on An Accurate Ab Initio Potential Energy Surface;The Journal of Physical Chemistry A;2016-04-06
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